- InChI
- InChI=1S/C20H38O4/c1-15(2)9-7-11-17(5)23-19(21)13-14-20(22)24-18(6)12-8-10-16(3)4/h15-18H,7-14H2,1-6H3
- InChI Key
- BXOYVONSJIESAY-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CC(C)CCCC(C)OC(=O)CCC(=O)OC(C)
CCCC(C)C - Molecular Weight1
- 342.52
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8942 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1148.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.69 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.283 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1043.27 | kPa | Joback Calculated Property |
| Inp | [2081.00; 2081.00] |
|
|
| Inp | 2081.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Tboil | 584.21 | K | Relay (1.0) Calculated Property |
| Tc | 756.80 | K | Relay (1.0) Calculated Property |
| Tfus | 262.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.164 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.17; 1069.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.87980e+01 | |||
| Coefficient B | 1.81792e+00 | |||
| Coefficient C | -8.87800e-04 | |||
| Coefficient D | 1.10600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 461.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 660.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 745.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 820.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 886.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 944.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 994.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1035.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1069.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051875; 0.0000569] | Pa×s | [339.82; 667.39] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44557e+01 | |||
| Coefficient B | 3.12436e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 339.82 | |||
| Temperature range, max. | 667.39 | |||
| η | 0.0051875 | Pa×s | 339.82 | Calculated Property |
| η | 0.0021314 | Pa×s | 376.22 | Calculated Property |
| η | 0.0010245 | Pa×s | 412.61 | Calculated Property |
| η | 0.0005546 | Pa×s | 449.01 | Calculated Property |
| η | 0.0003291 | Pa×s | 485.41 | Calculated Property |
| η | 0.0002101 | Pa×s | 521.80 | Calculated Property |
| η | 0.0001422 | Pa×s | 558.20 | Calculated Property |
| η | 0.0001009 | Pa×s | 594.59 | Calculated Property |
| η | 0.0000745 | Pa×s | 630.99 | Calculated Property |
| η | 0.0000569 | Pa×s | 667.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(6-methylhept-2-yl) ester.
Sources
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